1-tert-butyl-3-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)urea

C19H31N5O2 — CID 45212697

IUPAC1-tert-butyl-3-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)urea
SMILESCC1(C)Cc2nc(N3CCOCC3)ncc2C(NC(=O)NC(C)(C)C)C1
InChIInChI=1S/C19H31N5O2/c1-18(2,3)23-17(25)22-15-11-19(4,5)10-14-13(15)12-20-16(21-14)24-6-8-26-9-7-24/h12,15H,6-11H2,1-5H3,(H2,22,23,25)
InChIKeyVHOZEXBMLFIYCH-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.42
Rot. Bonds2

About 1-tert-butyl-3-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)urea

1-tert-butyl-3-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)urea (PubChem CID 45212697) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-tert-butyl-3-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)urea
PubChem CID45212697
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name1-tert-butyl-3-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)urea
SMILESCC1(C)Cc2nc(N3CCOCC3)ncc2C(NC(=O)NC(C)(C)C)C1
InChIInChI=1S/C19H31N5O2/c1-18(2,3)23-17(25)22-15-11-19(4,5)10-14-13(15)12-20-16(21-14)24-6-8-26-9-7-24/h12,15H,6-11H2,1-5H3,(H2,22,23,25)
InChIKeyVHOZEXBMLFIYCH-UHFFFAOYSA-N
XLogP2.42
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)urea?
The IUPAC name of 1-tert-butyl-3-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)urea (CID 45212697) is 1-tert-butyl-3-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)urea.
What is the SMILES notation for 1-tert-butyl-3-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)urea?
The canonical SMILES for 1-tert-butyl-3-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)urea is CC1(C)Cc2nc(N3CCOCC3)ncc2C(NC(=O)NC(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)urea?
The InChIKey is VHOZEXBMLFIYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-18(2,3)23-17(25)22-15-11-19(4,5)10-14-13(15)12-20-16(21-14)24-6-8-26-9-7-24/h12,15H,6-11H2,1-5H3,(H2,22,23,25).
What are the key properties of 1-tert-butyl-3-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)urea?
1-tert-butyl-3-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)urea has a molecular weight of 361.49 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)urea is sourced from PubChem (CID 45212697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).